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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:59 UTC
Update Date2025-03-25 00:46:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153460
Frequency0.5
Structure
Chemical FormulaC12H17NO2
Molecular Mass207.1259
SMILESCOc1ccc2c(c1)CCCC2(O)CN
InChI KeyXCTAJOGFZVNQAY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • tetralin
  • phenol ether
  • ether
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • tertiary alcohol
  • organic oxygen compound
  • anisole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound